Term Task Group on a
Multi-Dimensional NMR Data Standard
presentation at the Experimental Nuclear Magnetic Resonance conference
at Asilomar in 1998 a request was made for IUPAC to organize a limited
term task group to develop, document and validate a new spectroscopic
data transfer standard for multi-dimensional NMR data sets.
A number of volunteers came forward including key NMR manufacturer
representatives, industrial and academic NMR users and representatives
of independent software houses, to carry out the necessary work. In addition
following the ENC a number of people active in this field but not present
at the conference were contacted who responded positively to the proposal
and have agreed to act on the Task Group.
The Task Group is coordinated through the current CPEP Working
Party on Spectroscopic Data Standards (JCAMP-DX), with the finished documentation
being laid before the CPEP for approval.
During the 1999 ENC at Orlando USA it became clear that
the pulse sequence used to generate the multi-dimensional data file must
also be stored in a standard format if the data file is to be read sucessfully.
This has resulted in a new definition for the stored of standard NMR pulse
sequences (see below). A short article describing the project has
been published. td_11_1.pdf
With the pulse sequence definitions finished we are currently
working on finishing the data dictionary. Anyone wishing to request new
header labels to be included in the protocol should get
in touch now.
test files Some
testfiles are available in a provisional 2D-NMR JCAMP-DX file format prior
to the finalisation of the pulse sequence definition.
definitions for NMR pulse sequences
discussions a standard series of definitions for the most common NMR pulse
sequences has been agreed upon. This series of definitions includes the
most important parameters required to report the NMR experiment.
The protocol was published in November 2001 Pure and Applied
Chemistry and is now available:
Page last modified
23. June 2004.
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